Compound Detail
CHEMBL56356
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Basic Information
| ChEMBL ID | CHEMBL56356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHBKARCWDMDZOJ-YARKZXGKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
327.5
MW (Da)
3.81
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.17 | 8.17 | 6.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 6.7 | nM | 8.17 | Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of Chinese hamster ... | 15055988 |
| Mu-type opioid receptor | Ki | = | 48.0 | nM | 7.32 | Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovar... | 15055988 |
| Delta-type opioid receptor | Ki | = | 940.0 | nM | 6.03 | Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hams... | 15055988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055988 | 10.1021/jm049978n | Mu-type opioid receptor | 1 |
| 15055988 | 10.1021/jm049978n | Delta-type opioid receptor | 1 |
| 15055988 | 10.1021/jm049978n | Kappa-type opioid receptor | 1 |
| 15055988 | 10.1021/jm049978n | Opioid receptors; mu & kappa | 1 |
| 15055988 | 10.1021/jm049978n | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine